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Achievements

Showing records 1 - 20 (of 35)
Type Date Title Description ID
Invited presentations at conferences 2019-01-10 Workshop on Crystal Structure PredExploring the potential energy surface of synthesizable and non-synthesizable clusters  Workshop on Crystal Structure Prediction: Exploring the Mendeleev Table as a Palett to Design New Materials 4525549
Invited presentations at conferences 2017-08-01 DFT with wavelets  Workshop Density-Functional Theory and Beyond: Accuracy, Efficiency and Reproducibility in Computational Materials Science: 4175889
Invited presentations at conferences 2009-03-01 Wavelets and Their Application for the Solution of Poisson's and Schrödinger's Equation  Winter School Multiscale Simulation Methods in Molecular Sciences 96583
Invited presentations at conferences 2012-12-01 Density functional calculations in a wavelet basis with the BigDFT code  The Workshop on Computational Methods for Complex Systems 1524796
Invited presentations at conferences 2010-09-07 Mixed MPI OpenMP parallelization of the BigDFT code  Speedup workshop 453406
Invited presentations at conferences 2016-04-01 Wavelets as a Basis Set for Electronic Structure Calculations: The BigDFT Project  SIAM Conference on Parallel Processing for Scientific Compututing 3696998
Invited presentations at conferences 2010-09-13 Density functional calculations in a wavelet basis with the BigDFT code  Psi-k 2010 453393
Invited presentations at conferences 2017-07-01 BigDFT: Accurate and Efficient Density Functional Calculations on Peta Scale  PASC 2017 4175879
Invited presentations at conferences 2022-11-01 Controlling accuracy in support function codes  Online FAIRmat workshop on data quality in DFT codes 4657714
Invited presentations at conferences 2009-11-01 Structure prediction on the nano scale  Nanoelectronics meeting, Canadian Institute for Advanced Research 96585
Invited presentations at conferences 2017-10-01 Structure Predictions with the Minima Hopping method  Materials Science and Technology 2017 4175890
Invited presentations at conferences 2015-01-01 Exploring and understanding the potential energy landscape of clusters  International Conference on computational physics 3389298
Invited presentations at conferences 2019-07-15 Wavelets for electronic structure calculations, an introduction and overview  ISTCP2019 4525172
Invited presentations at conferences 2016-07-01 Exploring the potential energy landscape with the minima hopping method  IMPRESS Workshop on Interface Morphology Prediction 4175852
Invited presentations at conferences 2019-10-01 From Levinthal's paradox to the enigma of missing structures: Using Minima Hopping to gain insight into potential energy landscapes  FisMat2019 4525170
Invited presentations at conferences 2013-09-01 Density functional based structure predictioon with the minima hopping method  EuroMat conference 2013 2310867
Invited presentations at conferences 2014-06-10 From structure prediction to reaction pathways with the minima hopping method  ECMI 2832603
Invited presentations at conferences 2019-04-15 A force field based on a charge equilibration scheme steered by a neural network  Developing High-Dimensional Potential Energy Surfaces – From the Gas Phase to Materials 4525173
Invited presentations at conferences 2022-10-01 Trends in the stability and synthesizability of clusters: A theoretical study of their energy landscapes  Cluster meeting, Feldberg 4657713
Invited presentations at conferences 2022-06-01 Symmetry biasing of structure predictions and product biasing of reactioon pathways  Challenges in Designing Room Temperature Superconductors 4657715
Showing records 1 - 20 (of 35)


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30/04/2024